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基于材料基因组计划的计算和数据方法
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科技导报 | 综述文章 2016, 34(24): 62-67
基于材料基因组计划的计算和数据方法
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杨小渝1,2, 任杰1,2, 王娟1,2, 赵旭山1, 王宗国1, 宋健龙1
作者信息
    1. 中国科学院计算机网络信息中心, 北京 100190;
    2. 中国科学院大学, 北京 100049
Computational and data management based on Material Genome Initiative
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出版时间: 2016-12-28 doi: 10.3981/j.issn.1000-7857.2016.24.008
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材料基因组计划的核心理念,是通过计算、数据和实验“三位一体”的方式,变革传统的主要基于经验和实验的“试错法”材料研发模式,把发现、开发、生产和应用新材料的速度提高到目前的两倍。它旨在建立一个新的以计算模拟和理论预测优先、实验验证在后的新材料研发文化,从而取代现有的以经验和实验为主的材料研发的模式。本文论述如何通过计算和数据的方法加快新材料研发,介绍帮助加快新材料发现的高通量集成计算基础平台和软件框架MatCloud。
高通量材料计算  /  材料基因组计划  /  材料信息学  /  MatCloud
The core philosophy of Material Genome Initiative is the transition of the way of new material design from traditional"try-anderror"approach to the in-silico material design approach which employs intensive computing and material informatics. It aims to speed up discovery, development, production and deployment of new material two times faster than it is now. It means a culture shift of the material discovery, development and deployment:simulation and prediction first, followed by the experiment. This paper depicts how computational approach and informatics can discover new materials. A high throughput computational material platform and software framework, namely, MatCloud, is discussed.
high-throughput computational material  /  Material Genome Initiative  /  material informatics  /  MatCloud
杨小渝, 任杰, 王娟, 赵旭山, 王宗国, 宋健龙. 基于材料基因组计划的计算和数据方法. 科技导报, 2016 , 34 (24) : 62 -67 . DOI: 10.3981/j.issn.1000-7857.2016.24.008
YANG Xiaoyu, REN Jie, WANG Juan, Zhao Xushan, WANG Zongguo, SONG Jianlong. Computational and data management based on Material Genome Initiative[J]. Science & Technology Review, 2016 , 34 (24) : 62 -67 . DOI: 10.3981/j.issn.1000-7857.2016.24.008
2016年第34卷第24期
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doi: 10.3981/j.issn.1000-7857.2016.24.008
  • 接收时间:2015-10-22
  • 首发时间:2017-02-07
  • 出版时间:2016-12-28
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  • 收稿日期:2015-10-22
  • 修回日期:2016-11-28
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2种不同金属材料的力学参数

Family
属数
Number of
genus
种数
Number of
species
占总种数比例
Percentage of
total species (%)

Genus
种数
Number of
species
占总种数比例
Percentage of total
species (%)
鹅膏菌科Amanitaceae 2 11 5.26 鹅膏菌属 Amanita 10 4.78
小菇科 Mycenaceae 2 12 5.74 丝盖伞属 Inocybe 5 2.39
多孔菌科 Polyporaceae 8 14 6.70 蜡蘑属 Laccaria 5 2.39
红菇科 Russulaceae 3 23 11.00 小皮伞属 Marasmius 6 2.87
小菇属 Mycena 11 5.26
光柄菇属 Pluteus 5 2.39
红菇属 Russula 17 8.13
栓菌属 Trametes 5 2.39
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